(3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide

C22H23N3O3 — CID 15423810

IUPAC(3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
SMILESCC[C@@H]1COC2=C(C(=O)Nc3ccccc3)[C@@H](C)N(c3ccccc3)C(=O)N21
InChIInChI=1S/C22H23N3O3/c1-3-17-14-28-21-19(20(26)23-16-10-6-4-7-11-16)15(2)24(22(27)25(17)21)18-12-8-5-9-13-18/h4-13,15,17H,3,14H2,1-2H3,(H,23,26)/t15-,17-/m1/s1
InChIKeyCRBVNWWOBBVPOF-NVXWUHKLSA-N
MW377.44 g/mol
LogP3.98
Rot. Bonds4

About (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide

(3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide (PubChem CID 15423810) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name(3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
PubChem CID15423810
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
SMILESCC[C@@H]1COC2=C(C(=O)Nc3ccccc3)[C@@H](C)N(c3ccccc3)C(=O)N21
InChIInChI=1S/C22H23N3O3/c1-3-17-14-28-21-19(20(26)23-16-10-6-4-7-11-16)15(2)24(22(27)25(17)21)18-12-8-5-9-13-18/h4-13,15,17H,3,14H2,1-2H3,(H,23,26)/t15-,17-/m1/s1
InChIKeyCRBVNWWOBBVPOF-NVXWUHKLSA-N
XLogP3.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Alpha,3-bis-(phenylcarbamoyl)-2-methyleneoxazolidine
CID 45049213
2-(2-Oxo-2-(phenylamino)ethylidene)-N-phenyloxazolidine-3-carboxamide
CID 6003201
(3R,7R)-N,6-bis(4-bromophenyl)-3,7-diethyl-5-oxo-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
CID 11092843
(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
CID 15423816
(3R,7R)-3,7-diethyl-N,6-bis(4-nitrophenyl)-5-oxo-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
CID 134921924
(2S)-4-amino-2-methyl-5-(2-oxo-1,3-oxazolidine-3-carbonyl)-N-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 156654910
N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide
CID 86241355
(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide
CID 134873127
(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
CID 134921402
2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide
CID 134921502
N,N'-bis(4-fluorophenyl)-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide
CID 101783983
(3R,7R)-3-ethyl-7-methyl-N,6-bis(4-nitrophenyl)-5-oxo-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
CID 10983505

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
The IUPAC name of (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide (CID 15423810) is (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide is CC[C@@H]1COC2=C(C(=O)Nc3ccccc3)[C@@H](C)N(c3ccccc3)C(=O)N21.
What is the InChIKey of (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
The InChIKey is CRBVNWWOBBVPOF-NVXWUHKLSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-17-14-28-21-19(20(26)23-16-10-6-4-7-11-16)15(2)24(22(27)25(17)21)18-12-8-5-9-13-18/h4-13,15,17H,3,14H2,1-2H3,(H,23,26)/t15-,17-/m1/s1.
What are the key properties of (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
(3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3-ethyl-7-methyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 15423810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).